The authors report the enhanced energy storage performances of the target Bi0.5Na0.5TiO3-based multilayer ceramic capacitors achieved via the design of local polymorphic polarization configuration and the fabrication of prototype devices. Da Li , Zhaobo Liu & Di Zhou Article...
The deficiency of oxygen in the LiCoO 2δ reduced oxides gives rise to the formation of divalent cobalt ions. The deficiency of the alkali metal in Na x CoO 2 initiates the formation of holes in the oxygen 2 p band while not changing the electronic configuration d 6 of the cobalt-ion ...
The results obtained are compared with detailed calculations of the electronic structure and potential energy curves of S22+ which are also presented. These computations are carried out using configuration interaction methodology. The experimental results are interpreted with and strongly supported by the ...
Entropy and crystal-facet modulation of P2-type layered cathodes for long-lasting sodium-based batteries. Nat. Commun. 13, 2826 (2022). Article CAS PubMed PubMed Central Google Scholar Ding, F. et al. Using high-entropy configuration strategy to design na-ion layered oxide cathodes with ...
antibonding states. At still higher energies, one has Rydberg series, which are a set of atomiclike transitions in which valence electrons are excited to progressively higher energy states where the electron circum navigates the ion core at, typically, a considerable distance. Excitations of inner ...
By comparison with Cs(2)NaPrCl(6), the fourth-order CF parameter in Cs(2)NaPr(NO(2))(6) is relatively small so that interaction with a 4fnp configuration is not important. From the NO(2)(-) absorption bands above 20,000 cm(-1), the N-O bond length change upon excitation is ...
where Ecoh is the cohesive energy per atom of BN-doped configuration and Etot and E i represent total energies of a structure and of individual elements present within the same supercell, respectively. n i is the number of ith species present in the configuration, while n is the total numbe...
Ge is one of the promising candidates for anode materials in Li-ion batteries1,2. It has a theoretical capac- ity as high as temperature1. 1600 mA h However, g−1 the (upon drastic fovromluamtieonexopfaanLsiio4.n4Gien alloy) and excellent crystalline Ge that Li+ diffusion occurs ...
The results are found to be sensitive to the initial choice of the spin configuration. For example, the greigite structure remains cubic when the spin configuration was initialized with all the octahedral Fe sites having the same spin. In this case, the ground state is half-metallic and is ...
Electronic states of Zn2. A b i n i t i o calculations of a prototype for Hg2 The electronic states of Zn2 are investigated by a b i n i t i opolarizationconfiguration interaction (POL‐CI) calculations. Molecular states d...